4-chloro-6-cyclopentylpyrimidine-5-carbonitrile

C10H10ClN3 — CID 82395505

IUPAC4-chloro-6-cyclopentylpyrimidine-5-carbonitrile
SMILESN#Cc1c(Cl)ncnc1C1CCCC1
InChIInChI=1S/C10H10ClN3/c11-10-8(5-12)9(13-6-14-10)7-3-1-2-4-7/h6-7H,1-4H2
InChIKeySSCKIIXALSDGFI-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.66
Rot. Bonds1

About 4-chloro-6-cyclopentylpyrimidine-5-carbonitrile

4-chloro-6-cyclopentylpyrimidine-5-carbonitrile (PubChem CID 82395505) has the molecular formula C10H10ClN3 and a molecular weight of 207.66 g/mol. Its IUPAC name is 4-chloro-6-cyclopentylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-6-cyclopentylpyrimidine-5-carbonitrile
PubChem CID82395505
Molecular FormulaC10H10ClN3
Molecular Weight207.66 g/mol
Exact Mass207.06
IUPAC Name4-chloro-6-cyclopentylpyrimidine-5-carbonitrile
SMILESN#Cc1c(Cl)ncnc1C1CCCC1
InChIInChI=1S/C10H10ClN3/c11-10-8(5-12)9(13-6-14-10)7-3-1-2-4-7/h6-7H,1-4H2
InChIKeySSCKIIXALSDGFI-UHFFFAOYSA-N
XLogP2.66
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclopentylpyrimidine-5-carbonitrile?
The IUPAC name of 4-chloro-6-cyclopentylpyrimidine-5-carbonitrile (CID 82395505) is 4-chloro-6-cyclopentylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-chloro-6-cyclopentylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-chloro-6-cyclopentylpyrimidine-5-carbonitrile is N#Cc1c(Cl)ncnc1C1CCCC1.
What is the InChIKey of 4-chloro-6-cyclopentylpyrimidine-5-carbonitrile?
The InChIKey is SSCKIIXALSDGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3/c11-10-8(5-12)9(13-6-14-10)7-3-1-2-4-7/h6-7H,1-4H2.
What are the key properties of 4-chloro-6-cyclopentylpyrimidine-5-carbonitrile?
4-chloro-6-cyclopentylpyrimidine-5-carbonitrile has a molecular weight of 207.66 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclopentylpyrimidine-5-carbonitrile is sourced from PubChem (CID 82395505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).